Molecule ID: mol24820

SMILES: CC[N+](O)(CC)c1ccc(OC)cc1

InChI: InChI=1S/C11H18NO2/c1-4-12(13,5-2)10-6-8-11(14-3)9-7-10/h6-9,13H,4-5H2,1-3H3/q+1

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
4.66 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization